N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide

C22H29N3O2 — CID 139558708

IUPACN-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-4-5-9-16-24-25-22(27)20-14-12-18(13-15-20)17-23-21(26)19-10-7-6-8-11-19/h6-8,10-15,24H,2-5,9,16-17H2,1H3,(H,23,26)(H,25,27)
InChIKeyKOQNIDRCVFTKKZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.82
Rot. Bonds11

About N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide

N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide (PubChem CID 139558708) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
PubChem CID139558708
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
SMILESCCCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-2-3-4-5-9-16-24-25-22(27)20-14-12-18(13-15-20)17-23-21(26)19-10-7-6-8-11-19/h6-8,10-15,24H,2-5,9,16-17H2,1H3,(H,23,26)(H,25,27)
InChIKeyKOQNIDRCVFTKKZ-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2-nonylanilino)carbamoyl]phenyl]methyl]benzamide
CID 175393058
(E)-N-[[4-(butylaminocarbamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 139575800
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
4-(benzamidomethyl)benzoic acid
CID 10879683
N'-undecylpyridine-4-carbohydrazide
CID 27387
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 163196273
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide (CID 139558708) is N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide is CCCCCCCNNC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is KOQNIDRCVFTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-3-4-5-9-16-24-25-22(27)20-14-12-18(13-15-20)17-23-21(26)19-10-7-6-8-11-19/h6-8,10-15,24H,2-5,9,16-17H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide?
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.82, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 139558708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).