N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide

C16H24ClN3O2 — CID 54829100

IUPACN-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(C)CC)c1
InChIInChI=1S/C16H24ClN3O2/c1-4-6-15(21)19-12-7-8-13(17)14(9-12)20-16(22)10-18-11(3)5-2/h7-9,11,18H,4-6,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRABARMWVSMSANA-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.41
Rot. Bonds8

About N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide

N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide (PubChem CID 54829100) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
PubChem CID54829100
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(C)CC)c1
InChIInChI=1S/C16H24ClN3O2/c1-4-6-15(21)19-12-7-8-13(17)14(9-12)20-16(22)10-18-11(3)5-2/h7-9,11,18H,4-6,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRABARMWVSMSANA-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831817
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-[3-[[2-(3-bromoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54840369
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide?
The IUPAC name of N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide (CID 54829100) is N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide?
The canonical SMILES for N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(C)CC)c1.
What is the InChIKey of N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide?
The InChIKey is RABARMWVSMSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-6-15(21)19-12-7-8-13(17)14(9-12)20-16(22)10-18-11(3)5-2/h7-9,11,18H,4-6,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide?
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide has a molecular weight of 325.84 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 54829100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).