N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide

C18H29N3O2 — CID 54835584

IUPACN-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCCCCCCNC(=O)CNc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-19-18(23)14-20-15-9-11-16(12-10-15)21-17(22)4-2/h9-12,20H,3-8,13-14H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNWGIWLIFAPMOQK-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.53
Rot. Bonds11

About N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide

N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835584) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835584
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCCCCCCNC(=O)CNc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-19-18(23)14-20-15-9-11-16(12-10-15)21-17(22)4-2/h9-12,20H,3-8,13-14H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNWGIWLIFAPMOQK-UHFFFAOYSA-N
XLogP3.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
2-[4-[acetyl(methyl)amino]anilino]-N-hexadecylacetamide
CID 54811304
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
2-[4-(2-ethoxyethoxy)anilino]-N-hexadecylacetamide
CID 54825377
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846255

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835584) is N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide is CCCCCCCNC(=O)CNc1ccc(NC(=O)CC)cc1.
What is the InChIKey of N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is NWGIWLIFAPMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-5-6-7-8-13-19-18(23)14-20-15-9-11-16(12-10-15)21-17(22)4-2/h9-12,20H,3-8,13-14H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 3.53, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).