ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate

C18H26N4O4 — CID 97029177

IUPACethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1ccc(Cn2ccnc2)o1)CC(C)C
InChIInChI=1S/C18H26N4O4/c1-4-25-18(24)21-14(9-13(2)3)10-20-17(23)16-6-5-15(26-16)11-22-8-7-19-12-22/h5-8,12-14H,4,9-11H2,1-3H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyDEUQQKQLJHPFLH-CQSZACIVSA-N
MW362.43 g/mol
LogP2.41
Rot. Bonds9

About ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 97029177) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID97029177
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Nameethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@@H](CNC(=O)c1ccc(Cn2ccnc2)o1)CC(C)C
InChIInChI=1S/C18H26N4O4/c1-4-25-18(24)21-14(9-13(2)3)10-20-17(23)16-6-5-15(26-16)11-22-8-7-19-12-22/h5-8,12-14H,4,9-11H2,1-3H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyDEUQQKQLJHPFLH-CQSZACIVSA-N
XLogP2.41
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate (CID 97029177) is ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)N[C@@H](CNC(=O)c1ccc(Cn2ccnc2)o1)CC(C)C.
What is the InChIKey of ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is DEUQQKQLJHPFLH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-4-25-18(24)21-14(9-13(2)3)10-20-17(23)16-6-5-15(26-16)11-22-8-7-19-12-22/h5-8,12-14H,4,9-11H2,1-3H3,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R)-1-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 97029177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).