[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate

C14H17NO5 — CID 10107636

IUPAC[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate
SMILESCOC(=O)ON(CC1(c2ccccc2)CC1)C(=O)OC
InChIInChI=1S/C14H17NO5/c1-18-12(16)15(20-13(17)19-2)10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyPQLOSCHTSDKXEN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.48
Rot. Bonds3

About [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate

[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate (PubChem CID 10107636) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate.

Molecular Properties

Compound Name[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate
PubChem CID10107636
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate
SMILESCOC(=O)ON(CC1(c2ccccc2)CC1)C(=O)OC
InChIInChI=1S/C14H17NO5/c1-18-12(16)15(20-13(17)19-2)10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyPQLOSCHTSDKXEN-UHFFFAOYSA-N
XLogP2.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
2-chloro-N-methyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 166414654
3-but-3-en-2-yl-1-methyl-1-[(1-phenylcyclopropyl)methyl]urea
CID 91661765
methyl 2-hydroxy-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]acetate
CID 117108668
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-methyl-3-[4-[(S)-methylsulfinyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]urea
CID 99830156
methyl 3-[(dimethylamino)methyl]-4-hydroxy-1-phenylcyclohexane-1-carboxylate
CID 163718275
N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
CID 134421759
1-methyl-3-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]-1-[(1-phenylcyclopropyl)methyl]urea
CID 99826059

Frequently Asked Questions

What is the IUPAC name of [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate?
The IUPAC name of [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate (CID 10107636) is [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate.
What is the SMILES notation for [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate?
The canonical SMILES for [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate is COC(=O)ON(CC1(c2ccccc2)CC1)C(=O)OC.
What is the InChIKey of [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate?
The InChIKey is PQLOSCHTSDKXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-12(16)15(20-13(17)19-2)10-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate?
[methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate has a molecular weight of 279.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxycarbonyl-[(1-phenylcyclopropyl)methyl]amino] methyl carbonate is sourced from PubChem (CID 10107636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).