N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

C17H32N4O3 — CID 124622042

IUPACN-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1=O
InChIInChI=1S/C17H32N4O3/c1-4-6-20-7-5-8-21(13-16(20)22)17(23)18-14(2)15(3)19-9-11-24-12-10-19/h14-15H,4-13H2,1-3H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyRCFUKJHHDFAPEQ-HUUCEWRRSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds5

About N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (PubChem CID 124622042) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
PubChem CID124622042
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC NameN-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1=O
InChIInChI=1S/C17H32N4O3/c1-4-6-20-7-5-8-21(13-16(20)22)17(23)18-14(2)15(3)19-9-11-24-12-10-19/h14-15H,4-13H2,1-3H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyRCFUKJHHDFAPEQ-HUUCEWRRSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (CID 124622042) is N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is CCCN1CCCN(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1=O.
What is the InChIKey of N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is RCFUKJHHDFAPEQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-4-6-20-7-5-8-21(13-16(20)22)17(23)18-14(2)15(3)19-9-11-24-12-10-19/h14-15H,4-13H2,1-3H3,(H,18,23)/t14-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 124622042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).