2-(morpholine-3-carbonylamino)ethyl carbamate

C8H15N3O4 — CID 83209608

IUPAC2-(morpholine-3-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1COCCN1
InChIInChI=1S/C8H15N3O4/c9-8(13)15-4-2-11-7(12)6-5-14-3-1-10-6/h6,10H,1-5H2,(H2,9,13)(H,11,12)
InChIKeyPRHDSWMTVQYQKN-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.81
Rot. Bonds4

About 2-(morpholine-3-carbonylamino)ethyl carbamate

2-(morpholine-3-carbonylamino)ethyl carbamate (PubChem CID 83209608) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(morpholine-3-carbonylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(morpholine-3-carbonylamino)ethyl carbamate
PubChem CID83209608
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-(morpholine-3-carbonylamino)ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1COCCN1
InChIInChI=1S/C8H15N3O4/c9-8(13)15-4-2-11-7(12)6-5-14-3-1-10-6/h6,10H,1-5H2,(H2,9,13)(H,11,12)
InChIKeyPRHDSWMTVQYQKN-UHFFFAOYSA-N
XLogP-1.81
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-morpholine-3-carbonyl]amino]ethyl acetate
CID 118107617
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
CID 124698235
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-(2-chloroprop-2-enyl)morpholine-3-carboxamide
CID 115739704
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-3-carbonylamino)ethyl carbamate?
The IUPAC name of 2-(morpholine-3-carbonylamino)ethyl carbamate (CID 83209608) is 2-(morpholine-3-carbonylamino)ethyl carbamate.
What is the SMILES notation for 2-(morpholine-3-carbonylamino)ethyl carbamate?
The canonical SMILES for 2-(morpholine-3-carbonylamino)ethyl carbamate is NC(=O)OCCNC(=O)C1COCCN1.
What is the InChIKey of 2-(morpholine-3-carbonylamino)ethyl carbamate?
The InChIKey is PRHDSWMTVQYQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c9-8(13)15-4-2-11-7(12)6-5-14-3-1-10-6/h6,10H,1-5H2,(H2,9,13)(H,11,12).
What are the key properties of 2-(morpholine-3-carbonylamino)ethyl carbamate?
2-(morpholine-3-carbonylamino)ethyl carbamate has a molecular weight of 217.22 g/mol, XLogP of -1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-3-carbonylamino)ethyl carbamate is sourced from PubChem (CID 83209608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).