2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide

C14H28N2O2 — CID 81395208

IUPAC2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(13-7-4-5-8-13)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeySNNHPILXQNGFHC-PXYINDEMSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds8

About 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide

2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide (PubChem CID 81395208) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
PubChem CID81395208
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2O2/c1-11(13-7-4-5-8-13)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1
InChIKeySNNHPILXQNGFHC-PXYINDEMSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide
CID 81394890
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-(1-cyclopropylethylamino)-N-propylpropanamide
CID 43401278

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide (CID 81395208) is 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N[C@@H](C)C1CCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is SNNHPILXQNGFHC-PXYINDEMSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(13-7-4-5-8-13)16-12(2)14(17)15-9-6-10-18-3/h11-13,16H,4-10H2,1-3H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide?
2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopentylethyl]amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 81395208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).