N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide

C16H27N3O — CID 61259926

IUPACN-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-14(2)17-11-7-10-16(20)18-12-13-19(3)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20)
InChIKeyNIBJNDYGTREQPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds9

About N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide

N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 61259926) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID61259926
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-14(2)17-11-7-10-16(20)18-12-13-19(3)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20)
InChIKeyNIBJNDYGTREQPX-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
N-(2-phenylsulfanylethyl)-4-(propan-2-ylamino)butanamide
CID 54881093
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide (CID 61259926) is N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCCN(C)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is NIBJNDYGTREQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(2)17-11-7-10-16(20)18-12-13-19(3)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61259926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).