N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide

C14H21N5O2 — CID 62838478

IUPACN-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESNC(=O)Nc1ccc(NC(=O)CN2CCCNCC2)cc1
InChIInChI=1S/C14H21N5O2/c15-14(21)18-12-4-2-11(3-5-12)17-13(20)10-19-8-1-6-16-7-9-19/h2-5,16H,1,6-10H2,(H,17,20)(H3,15,18,21)
InChIKeyCKKBTDWDIGRQPX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.41
Rot. Bonds4

About N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide

N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 62838478) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
PubChem CID62838478
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
SMILESNC(=O)Nc1ccc(NC(=O)CN2CCCNCC2)cc1
InChIInChI=1S/C14H21N5O2/c15-14(21)18-12-4-2-11(3-5-12)17-13(20)10-19-8-1-6-16-7-9-19/h2-5,16H,1,6-10H2,(H,17,20)(H3,15,18,21)
InChIKeyCKKBTDWDIGRQPX-UHFFFAOYSA-N
XLogP0.41
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
N-[4-(tert-butylamino)phenyl]-2-piperazin-1-ylacetamide;N-[4-(tert-butylamino)phenyl]-2-piperidin-1-ylacetamide;methane
CID 158031783
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide (CID 62838478) is N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide is NC(=O)Nc1ccc(NC(=O)CN2CCCNCC2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is CKKBTDWDIGRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-14(21)18-12-4-2-11(3-5-12)17-13(20)10-19-8-1-6-16-7-9-19/h2-5,16H,1,6-10H2,(H,17,20)(H3,15,18,21).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide?
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 62838478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).