N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C16H29N3O3 — CID 51096951

IUPACN-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)CCNC(=O)C(C)(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C16H29N3O3/c1-11(14(21)19-12-7-5-6-8-12)18-13(20)9-10-17-15(22)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyDHDAMEQTEKYBBT-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.10
Rot. Bonds6

About N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 51096951) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID51096951
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)CCNC(=O)C(C)(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C16H29N3O3/c1-11(14(21)19-12-7-5-6-8-12)18-13(20)9-10-17-15(22)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyDHDAMEQTEKYBBT-UHFFFAOYSA-N
XLogP1.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 51096951) is N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(NC(=O)CCNC(=O)C(C)(C)C)C(=O)NC1CCCC1.
What is the InChIKey of N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is DHDAMEQTEKYBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-11(14(21)19-12-7-5-6-8-12)18-13(20)9-10-17-15(22)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 51096951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).