N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene

C31H52N4O3 — CID 169158952

IUPACN-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene
SMILESCC.CCCCCCCC(=O)NCC(=O)NC(C)Cc1ccccc1.Cc1ccccc1.NCCNC=O
InChIInChI=1S/C19H30N2O2.C7H8.C3H8N2O.C2H6/c1-3-4-5-6-10-13-18(22)20-15-19(23)21-16(2)14-17-11-8-7-9-12-17;1-7-5-3-2-4-6-7;4-1-2-5-3-6;1-2/h7-9,11-12,16H,3-6,10,13-15H2,1-2H3,(H,20,22)(H,21,23);2-6H,1H3;3H,1-2,4H2,(H,5,6);1-2H3
InChIKeyCSXPMMXRPBCOAD-UHFFFAOYSA-N
MW528.78 g/mol
LogP4.92
Rot. Bonds14

About N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene

N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene (PubChem CID 169158952) has the molecular formula C31H52N4O3 and a molecular weight of 528.78 g/mol. Its IUPAC name is N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene.

Molecular Properties

Compound NameN-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene
PubChem CID169158952
Molecular FormulaC31H52N4O3
Molecular Weight528.78 g/mol
Exact Mass528.40
IUPAC NameN-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene
SMILESCC.CCCCCCCC(=O)NCC(=O)NC(C)Cc1ccccc1.Cc1ccccc1.NCCNC=O
InChIInChI=1S/C19H30N2O2.C7H8.C3H8N2O.C2H6/c1-3-4-5-6-10-13-18(22)20-15-19(23)21-16(2)14-17-11-8-7-9-12-17;1-7-5-3-2-4-6-7;4-1-2-5-3-6;1-2/h7-9,11-12,16H,3-6,10,13-15H2,1-2H3,(H,20,22)(H,21,23);2-6H,1H3;3H,1-2,4H2,(H,5,6);1-2H3
InChIKeyCSXPMMXRPBCOAD-UHFFFAOYSA-N
XLogP4.92
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.78
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
N-[2-[[2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]heptanamide
CID 176965756
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
[(2S)-3-oxo-3-phenylmethoxy-2-[[2-(tetradecanoylamino)acetyl]amino]propyl] hexadecanoate
CID 10101246
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-(2-aminoethyl)formamide;ethane;(E)-2-formamido-3-phenyl-N-(1-phenylpropan-2-yl)prop-2-enamide;1,3,5-trimethylbenzene
CID 145257476
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene?
The IUPAC name of N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene (CID 169158952) is N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene.
What is the SMILES notation for N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene?
The canonical SMILES for N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene is CC.CCCCCCCC(=O)NCC(=O)NC(C)Cc1ccccc1.Cc1ccccc1.NCCNC=O.
What is the InChIKey of N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene?
The InChIKey is CSXPMMXRPBCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.C7H8.C3H8N2O.C2H6/c1-3-4-5-6-10-13-18(22)20-15-19(23)21-16(2)14-17-11-8-7-9-12-17;1-7-5-3-2-4-6-7;4-1-2-5-3-6;1-2/h7-9,11-12,16H,3-6,10,13-15H2,1-2H3,(H,20,22)(H,21,23);2-6H,1H3;3H,1-2,4H2,(H,5,6);1-2H3.
What are the key properties of N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene?
N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene has a molecular weight of 528.78 g/mol, XLogP of 4.92, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)formamide;ethane;N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]octanamide;toluene is sourced from PubChem (CID 169158952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).