N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide

C14H25N3O3 — CID 51946798

IUPACN-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)15-5-6-16-14(19)9-17(13-2-3-13)8-12-4-7-20-10-12/h12-13H,2-10H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyQSUCXPPVSAUHOB-LBPRGKRZSA-N
MW283.37 g/mol
LogP-0.26
Rot. Bonds8

About N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide

N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide (PubChem CID 51946798) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
PubChem CID51946798
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
SMILESCC(=O)NCCNC(=O)CN(C[C@@H]1CCOC1)C1CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)15-5-6-16-14(19)9-17(13-2-3-13)8-12-4-7-20-10-12/h12-13H,2-10H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyQSUCXPPVSAUHOB-LBPRGKRZSA-N
XLogP-0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 51080751
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014138
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
CID 51728486
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86989385
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 98720488
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 87017037
N-[cyclopentyl(phenyl)methyl]-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 78897244
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 94025427

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide (CID 51946798) is N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide is CC(=O)NCCNC(=O)CN(C[C@@H]1CCOC1)C1CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide?
The InChIKey is QSUCXPPVSAUHOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(18)15-5-6-16-14(19)9-17(13-2-3-13)8-12-4-7-20-10-12/h12-13H,2-10H2,1H3,(H,15,18)(H,16,19)/t12-/m0/s1.
What are the key properties of N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide?
N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide has a molecular weight of 283.37 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide is sourced from PubChem (CID 51946798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).